N1-[2-(4-cyanophenoxy)-1-methylethyl]-N2-phenoxycarbonyl-L-valinamide

HCID 53713420
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Basic information

Standard SMILES
CC(COc1ccc(C#N)cc1)NC(=O)[C@@H](NC(=O)Oc1ccccc1)C(C)C
InChIKey
CCBFKLAMEHLPJM-FZCLLLDFSA-N
Molecular formula
C22H25N3O4
Average molar mass
395.5 g/mol
Monoisotopic mass
395.18450629

Names & identifiers

Preferred name
N1-[2-(4-cyanophenoxy)-1-methylethyl]-N2-phenoxycarbonyl-L-valinamide
IUPAC
phenyl N-[(2S)-1-[1-(4-cyanophenoxy)propan-2-ylamino]-3-methyl-1-oxobutan-2-yl]carbamate

Names & synonyms

SCHEMBL8771906CCBFKLAMEHLPJM-FZCLLLDFSA-NN1 -[2-(4-cyanophenoxy)-1-methylethyl]-N2 -phenoxycarbonyl-L-valinamide

Database identifiers

PubChem CID
53713420

Properties

Computed structural properties

XLogP
4
Topological polar surface area
100 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
9
Heavy atoms
29

Related reactions

8 records
New reaction record

Linked notes

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